3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide

C23H30N4O3 — CID 134098869

IUPAC3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCN(C3CC(c4ccccc4)NN3)CC2)c1
InChIInChI=1S/C23H30N4O3/c1-29-19-12-17(13-20(14-19)30-2)23(28)24-18-8-10-27(11-9-18)22-15-21(25-26-22)16-6-4-3-5-7-16/h3-7,12-14,18,21-22,25-26H,8-11,15H2,1-2H3,(H,24,28)
InChIKeyQOBXNPZAMAAWNB-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.46
Rot. Bonds6

About 3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide

3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide (PubChem CID 134098869) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
PubChem CID134098869
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCN(C3CC(c4ccccc4)NN3)CC2)c1
InChIInChI=1S/C23H30N4O3/c1-29-19-12-17(13-20(14-19)30-2)23(28)24-18-8-10-27(11-9-18)22-15-21(25-26-22)16-6-4-3-5-7-16/h3-7,12-14,18,21-22,25-26H,8-11,15H2,1-2H3,(H,24,28)
InChIKeyQOBXNPZAMAAWNB-UHFFFAOYSA-N
XLogP2.46
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134099115
3,5-dimethyl-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134099116
3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide
CID 85498679
N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 134098863
N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-methoxy-2-methylbenzamide
CID 134099047
2,4-difluoro-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134098903
N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methylbenzamide
CID 134099091
[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 134098789
5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide
CID 134099058
N-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide
CID 134098939
2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide
CID 134098984
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide (CID 134098869) is 3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide is COc1cc(OC)cc(C(=O)NC2CCN(C3CC(c4ccccc4)NN3)CC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide?
The InChIKey is QOBXNPZAMAAWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-29-19-12-17(13-20(14-19)30-2)23(28)24-18-8-10-27(11-9-18)22-15-21(25-26-22)16-6-4-3-5-7-16/h3-7,12-14,18,21-22,25-26H,8-11,15H2,1-2H3,(H,24,28).
What are the key properties of 3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide?
3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide has a molecular weight of 410.52 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 134098869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).